- InChI
- InChI=1S/C24H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)27-22-23-18-17-20-25-21-23/h3-4,6-7,9-10,17-18,20-21H,2,5,8,11-16,19,22H2,1H3/b4-3-,7-6-,10-9-
- InChI Key
- VMDODSILOLPSBY-PDBXOOCHSA-N
- Formula
- C24H35NO2
- SMILES
-
CCC=CCC=CCC=CCCCCCCCC(=O)OCc1c
ccnc1 - Molecular Weight1
- 369.54
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8350 | Relay (1.0) Calculated Property | |
| ΔfG° | 183.23 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -389.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 121.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.714 | Crippen Calculated Property | |
| McVol | 329.780 | ml/mol | McGowan Calculated Property |
| Pc | 1005.62 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2871.20; 2871.20] |
|
|
| Inp | 2871.20 | NIST | |
| Inp | 2871.20 | NIST | |
| Tboil | 659.29 | K | Relay (1.0) Calculated Property |
| Tc | 882.05 | K | Relay (1.0) Calculated Property |
| Tfus | 301.74 | K | Relay (1.0) Calculated Property |
| Vc | 1.143 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to cis, cis, cis-9, 12, 15-Octadecatrienoic acid, picolinyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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